3-(1-acetyloxypropyl)-7-(2-iodanylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(1-acetyloxypropyl)-7-(2-iodanylethanoylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(1-acetoxypropyl)-7-[(2-iodoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(1-acetyloxypropyl)-7-[(2-iodo-1-oxoethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(1-acetyloxypropyl)-7-[(2-iodoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(1-acetoxypropyl)-7-[(2-iodoacetyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H17IN2O6S MolecularWeight: 468.26405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(N2C(C(C2=O)NC(=O)CI)SC1)C(=O)O)OC(=O)C

Isomeric SMILES

CCC(C1=C(N2C(C(C2=O)NC(=O)CI)SC1)C(=O)O)OC(=O)C

InChI

InChI=1S/C14H17IN2O6S/c1-3-8(23-6(2)18)7-5-24-13-10(16-9(19)4-15)12(20)17(13)11(7)14(21)22/h8,10,13H,3-5H2,1-2H3,(H,16,19)(H,21,22)